3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one

C13H16F3N5O — CID 71846422

IUPAC3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1NCCC1N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H16F3N5O/c14-13(15,16)10-2-4-18-12(19-10)21-7-5-20(6-8-21)9-1-3-17-11(9)22/h2,4,9H,1,3,5-8H2,(H,17,22)
InChIKeyHZJPSPGDYMXDNH-UHFFFAOYSA-N
MW315.30 g/mol
LogP0.51
Rot. Bonds2

About 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one

3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one (PubChem CID 71846422) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
PubChem CID71846422
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1NCCC1N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H16F3N5O/c14-13(15,16)10-2-4-18-12(19-10)21-7-5-20(6-8-21)9-1-3-17-11(9)22/h2,4,9H,1,3,5-8H2,(H,17,22)
InChIKeyHZJPSPGDYMXDNH-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one (CID 71846422) is 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one is O=C1NCCC1N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is HZJPSPGDYMXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c14-13(15,16)10-2-4-18-12(19-10)21-7-5-20(6-8-21)9-1-3-17-11(9)22/h2,4,9H,1,3,5-8H2,(H,17,22).
What are the key properties of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one?
3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 315.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 71846422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).